[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] 5-(4-nitrophenyl)furan-2-carboxylate CAS Name: 5-(4-nitrophenyl)-2-furancarboxylic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] 5-(4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(4-nitrophenyl)furan-2-carboxylic acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H17NO6 MolecularWeight: 379.36278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)COC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C21H17NO6/c1-13-3-8-17(14(2)11-13)18(23)12-27-21(24)20-10-9-19(28-20)15-4-6-16(7-5-15)22(25)26/h3-11H,12H2,1-2H3